4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C15H10BrN3O4 — CID 43972644

IUPAC4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)cc1
InChIInChI=1S/C15H10BrN3O4/c1-8(20)9-2-4-10(5-3-9)13(21)17-15-19-18-14(23-15)11-6-7-12(16)22-11/h2-7H,1H3,(H,17,19,21)
InChIKeyVZGSRYUQUYAHMS-UHFFFAOYSA-N
MW376.17 g/mol
LogP3.55
Rot. Bonds4

About 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43972644) has the molecular formula C15H10BrN3O4 and a molecular weight of 376.17 g/mol. Its IUPAC name is 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43972644
Molecular FormulaC15H10BrN3O4
Molecular Weight376.17 g/mol
Exact Mass374.99
IUPAC Name4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)cc1
InChIInChI=1S/C15H10BrN3O4/c1-8(20)9-2-4-10(5-3-9)13(21)17-15-19-18-14(23-15)11-6-7-12(16)22-11/h2-7H,1H3,(H,17,19,21)
InChIKeyVZGSRYUQUYAHMS-UHFFFAOYSA-N
XLogP3.55
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.17
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43972665
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-3-nitrobenzamide
CID 43972825
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 43972580
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 43972703
5-bromo-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chlorobenzamide
CID 43972822
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylpyrazole-3-carboxamide
CID 43972807
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 43972811
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-chloro-6-fluorobenzamide
CID 43972821
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 43972651
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-chloro-1-benzothiophene-2-carboxamide
CID 43972655

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43972644) is 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)o3)o2)cc1.
What is the InChIKey of 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is VZGSRYUQUYAHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O4/c1-8(20)9-2-4-10(5-3-9)13(21)17-15-19-18-14(23-15)11-6-7-12(16)22-11/h2-7H,1H3,(H,17,19,21).
What are the key properties of 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 376.17 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43972644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).